USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 59 ASN :FLIP amide:sc= -0.193 F(o=-0.86,f=-0.27) USER MOD Set 1.2: C 88 TYR OH : rot 165:sc= -0.081 USER MOD Set 2.1: C 77 ASN :FLIP amide:sc= -1.31 F(o=-14!,f=-6.1) USER MOD Set 2.2: C 80 ASN : amide:sc= -4.8! C(o=-6.1!,f=-12!) USER MOD Set 3.1: C 71 THR OG1 : rot -130:sc= 0.754 USER MOD Set 3.2: C 74 ASN : amide:sc= 0.993 K(o=1.7,f=1.2) USER MOD Set 4.1: C 62 LYS NZ :NH3+ 163:sc= 0.408 (180deg=0) USER MOD Set 4.2: C 65 THR OG1 : rot -120:sc= 0.305 USER MOD Set 5.1: C 24 LYS NZ :NH3+ -166:sc= -2.13! (180deg=-2.44!) USER MOD Set 5.2: C 48 SER OG : rot 180:sc= 0 USER MOD Set 6.1: C 26 LYS NZ :NH3+ -154:sc= 0.221 (180deg=0.0487) USER MOD Set 6.2: C 42 ASN : amide:sc= -2.51! C(o=-2.3!,f=-8!) USER MOD Set 7.1: C 19 LYS NZ :NH3+ -176:sc= 1.03 (180deg=0) USER MOD Set 7.2: C 93 GLN : amide:sc= -2.31! C(o=-1.3!,f=-5.3!) USER MOD Set 8.1: C 14 ASN : amide:sc= -0.0239 K(o=-3.3,f=-5.7) USER MOD Set 8.2: C 17 ASN : amide:sc= -3.23! C(o=-3.3!,f=-5.8!) USER MOD Single : C 9 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.43) USER MOD Single : C 10 MET CE :methyl -165:sc= -0.0326 (180deg=-0.318) USER MOD Single : C 11 ASN : amide:sc= -0.0609 K(o=-0.061,f=-2.7!) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 15 SER OG : rot 73:sc= 0.78 USER MOD Single : C 21 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.7!) USER MOD Single : C 22 LYS NZ :NH3+ -167:sc= 0.272 (180deg=-0.414) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot -130:sc= -1.55 USER MOD Single : C 31 MET CE :methyl 160:sc= -0.175 (180deg=-0.753) USER MOD Single : C 32 ASN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : C 34 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.36) USER MOD Single : C 35 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.9!) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -1.15 USER MOD Single : C 40 SER OG : rot 40:sc= -2.99! USER MOD Single : C 41 SER OG : rot 180:sc= -0.0521 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 163:sc= -0.0598 (180deg=-0.355) USER MOD Single : C 53 ASN :FLIP amide:sc= -3.44! C(o=-4.4!,f=-3.4!) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 67 ASN : amide:sc= -2.04! C(o=-2!,f=-11!) USER MOD Single : C 69 LYS NZ :NH3+ -161:sc= -0.0134 (180deg=-0.124) USER MOD Single : C 70 SER OG : rot 86:sc= 0.618 USER MOD Single : C 76 SER OG : rot 58:sc= 0.654 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -3.63! C(o=-4.2!,f=-3.6!) USER MOD Single : C 85 LYS NZ :NH3+ -121:sc= -0.111 (180deg=-2!) USER MOD Single : C 92 LYS NZ :NH3+ -154:sc= -0.0782 (180deg=-0.532) USER MOD ----------------------------------------------------------------- ATOM 125 N GLN C 9 -11.803 -4.266 0.556 1.00 0.00 N ATOM 126 CA GLN C 9 -10.945 -4.342 1.738 1.00 0.00 C ATOM 127 C GLN C 9 -10.829 -5.781 2.240 1.00 0.00 C ATOM 128 O GLN C 9 -10.421 -6.023 3.376 1.00 0.00 O ATOM 129 CB GLN C 9 -11.489 -3.469 2.875 1.00 0.00 C ATOM 130 CG GLN C 9 -11.406 -1.969 2.648 1.00 0.00 C ATOM 131 CD GLN C 9 -12.380 -1.463 1.606 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.538 -1.181 1.910 1.00 0.00 O ATOM 133 NE2 GLN C 9 -11.916 -1.322 0.376 1.00 0.00 N ATOM 0 HA GLN C 9 -9.961 -3.978 1.440 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.532 -3.735 3.046 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -10.944 -3.711 3.787 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.595 -1.456 3.591 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.392 -1.711 2.342 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -10.949 -1.567 0.165 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -12.525 -0.968 -0.361 1.00 0.00 H new ATOM 142 N MET C 10 -11.211 -6.730 1.401 1.00 0.00 N ATOM 143 CA MET C 10 -11.148 -8.137 1.763 1.00 0.00 C ATOM 144 C MET C 10 -9.899 -8.786 1.170 1.00 0.00 C ATOM 145 O MET C 10 -8.842 -8.158 1.120 1.00 0.00 O ATOM 146 CB MET C 10 -12.418 -8.863 1.304 1.00 0.00 C ATOM 147 CG MET C 10 -13.680 -8.383 2.007 1.00 0.00 C ATOM 148 SD MET C 10 -15.147 -9.325 1.540 1.00 0.00 S ATOM 149 CE MET C 10 -15.292 -8.900 -0.194 1.00 0.00 C ATOM 0 H MET C 10 -11.569 -6.551 0.463 1.00 0.00 H new ATOM 0 HA MET C 10 -11.086 -8.217 2.848 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.536 -8.727 0.229 1.00 0.00 H new ATOM 0 HB3 MET C 10 -12.299 -9.932 1.479 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.538 -8.453 3.085 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.841 -7.330 1.774 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.281 -9.180 -0.556 1.00 0.00 H new ATOM 0 HE2 MET C 10 -15.151 -7.826 -0.319 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.532 -9.435 -0.764 1.00 0.00 H new ATOM 159 N ASN C 11 -10.018 -10.043 0.739 1.00 0.00 N ATOM 160 CA ASN C 11 -8.879 -10.812 0.224 1.00 0.00 C ATOM 161 C ASN C 11 -8.058 -10.021 -0.788 1.00 0.00 C ATOM 162 O ASN C 11 -6.837 -10.149 -0.821 1.00 0.00 O ATOM 163 CB ASN C 11 -9.341 -12.122 -0.423 1.00 0.00 C ATOM 164 CG ASN C 11 -9.949 -13.102 0.563 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.615 -12.714 1.525 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.716 -14.386 0.335 1.00 0.00 N ATOM 0 H ASN C 11 -10.900 -10.556 0.736 1.00 0.00 H new ATOM 0 HA ASN C 11 -8.248 -11.032 1.085 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -10.074 -11.897 -1.198 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -8.491 -12.594 -0.916 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -10.093 -15.093 0.967 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -9.160 -14.668 -0.472 1.00 0.00 H new ATOM 173 N SER C 12 -8.724 -9.197 -1.593 1.00 0.00 N ATOM 174 CA SER C 12 -8.051 -8.386 -2.604 1.00 0.00 C ATOM 175 C SER C 12 -6.852 -7.628 -2.023 1.00 0.00 C ATOM 176 O SER C 12 -5.755 -7.677 -2.573 1.00 0.00 O ATOM 177 CB SER C 12 -9.042 -7.399 -3.221 1.00 0.00 C ATOM 178 OG SER C 12 -10.141 -8.077 -3.809 1.00 0.00 O ATOM 0 H SER C 12 -9.736 -9.073 -1.564 1.00 0.00 H new ATOM 0 HA SER C 12 -7.674 -9.060 -3.373 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.402 -6.713 -2.454 1.00 0.00 H new ATOM 0 HB3 SER C 12 -8.537 -6.796 -3.976 1.00 0.00 H new ATOM 0 HG SER C 12 -10.761 -7.423 -4.195 1.00 0.00 H new ATOM 184 N ILE C 13 -7.055 -6.962 -0.893 1.00 0.00 N ATOM 185 CA ILE C 13 -6.005 -6.142 -0.297 1.00 0.00 C ATOM 186 C ILE C 13 -5.065 -6.991 0.564 1.00 0.00 C ATOM 187 O ILE C 13 -3.897 -6.655 0.757 1.00 0.00 O ATOM 188 CB ILE C 13 -6.608 -5.001 0.559 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.522 -4.017 0.995 1.00 0.00 C ATOM 190 CG2 ILE C 13 -7.327 -5.561 1.780 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.045 -2.900 1.867 1.00 0.00 C ATOM 0 H ILE C 13 -7.932 -6.972 -0.372 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.432 -5.703 -1.114 1.00 0.00 H new ATOM 0 HB ILE C 13 -7.333 -4.469 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.746 -4.559 1.536 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.053 -3.588 0.110 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.742 -4.741 2.366 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -8.133 -6.220 1.457 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.621 -6.123 2.392 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -5.224 -2.238 2.141 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -6.800 -2.335 1.321 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -6.489 -3.320 2.769 1.00 0.00 H new ATOM 203 N ASN C 14 -5.571 -8.107 1.060 1.00 0.00 N ATOM 204 CA ASN C 14 -4.811 -8.942 1.979 1.00 0.00 C ATOM 205 C ASN C 14 -3.901 -9.906 1.236 1.00 0.00 C ATOM 206 O ASN C 14 -2.862 -10.310 1.758 1.00 0.00 O ATOM 207 CB ASN C 14 -5.749 -9.699 2.895 1.00 0.00 C ATOM 208 CG ASN C 14 -6.395 -8.793 3.928 1.00 0.00 C ATOM 209 OD1 ASN C 14 -5.782 -7.835 4.400 1.00 0.00 O ATOM 210 ND2 ASN C 14 -7.640 -9.078 4.274 1.00 0.00 N ATOM 0 H ASN C 14 -6.504 -8.457 0.843 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.178 -8.288 2.579 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.525 -10.181 2.300 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -5.198 -10.491 3.402 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -8.126 -8.495 4.955 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -8.113 -9.881 3.860 1.00 0.00 H new ATOM 217 N SER C 15 -4.284 -10.280 0.025 1.00 0.00 N ATOM 218 CA SER C 15 -3.387 -11.028 -0.838 1.00 0.00 C ATOM 219 C SER C 15 -2.198 -10.147 -1.188 1.00 0.00 C ATOM 220 O SER C 15 -1.074 -10.623 -1.357 1.00 0.00 O ATOM 221 CB SER C 15 -4.114 -11.489 -2.101 1.00 0.00 C ATOM 222 OG SER C 15 -5.229 -12.300 -1.769 1.00 0.00 O ATOM 0 H SER C 15 -5.199 -10.080 -0.378 1.00 0.00 H new ATOM 0 HA SER C 15 -3.037 -11.920 -0.318 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.446 -10.622 -2.673 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.428 -12.048 -2.738 1.00 0.00 H new ATOM 0 HG SER C 15 -5.944 -11.739 -1.402 1.00 0.00 H new ATOM 228 N VAL C 16 -2.461 -8.845 -1.263 1.00 0.00 N ATOM 229 CA VAL C 16 -1.410 -7.863 -1.443 1.00 0.00 C ATOM 230 C VAL C 16 -0.563 -7.768 -0.177 1.00 0.00 C ATOM 231 O VAL C 16 0.648 -7.579 -0.248 1.00 0.00 O ATOM 232 CB VAL C 16 -1.979 -6.469 -1.791 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.859 -5.472 -2.030 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.878 -6.546 -3.011 1.00 0.00 C ATOM 0 H VAL C 16 -3.399 -8.450 -1.201 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.793 -8.192 -2.279 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.571 -6.127 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -1.284 -4.498 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -0.249 -5.387 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL C 16 -0.238 -5.814 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -3.268 -5.554 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -2.306 -6.915 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.707 -7.224 -2.810 1.00 0.00 H new ATOM 244 N ASN C 17 -1.202 -7.939 0.986 1.00 0.00 N ATOM 245 CA ASN C 17 -0.480 -7.901 2.261 1.00 0.00 C ATOM 246 C ASN C 17 0.632 -8.946 2.284 1.00 0.00 C ATOM 247 O ASN C 17 1.769 -8.649 2.656 1.00 0.00 O ATOM 248 CB ASN C 17 -1.430 -8.139 3.438 1.00 0.00 C ATOM 249 CG ASN C 17 -1.964 -6.857 4.049 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.380 -6.317 4.989 1.00 0.00 O ATOM 251 ND2 ASN C 17 -3.068 -6.352 3.522 1.00 0.00 N ATOM 0 H ASN C 17 -2.205 -8.103 1.070 1.00 0.00 H new ATOM 0 HA ASN C 17 -0.040 -6.909 2.360 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -2.268 -8.749 3.101 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.909 -8.710 4.207 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.462 -5.488 3.894 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.525 -6.827 2.744 1.00 0.00 H new ATOM 258 N ASP C 18 0.303 -10.161 1.859 1.00 0.00 N ATOM 259 CA ASP C 18 1.272 -11.257 1.825 1.00 0.00 C ATOM 260 C ASP C 18 2.287 -11.078 0.701 1.00 0.00 C ATOM 261 O ASP C 18 3.334 -11.726 0.691 1.00 0.00 O ATOM 262 CB ASP C 18 0.564 -12.605 1.673 1.00 0.00 C ATOM 263 CG ASP C 18 0.131 -13.189 3.002 1.00 0.00 C ATOM 264 OD1 ASP C 18 1.005 -13.662 3.761 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.084 -13.189 3.289 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.629 -10.415 1.532 1.00 0.00 H new ATOM 0 HA ASP C 18 1.808 -11.240 2.774 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.309 -12.482 1.033 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.231 -13.307 1.172 1.00 0.00 H new ATOM 270 N LYS C 19 1.980 -10.204 -0.245 1.00 0.00 N ATOM 271 CA LYS C 19 2.871 -9.960 -1.373 1.00 0.00 C ATOM 272 C LYS C 19 3.868 -8.873 -1.001 1.00 0.00 C ATOM 273 O LYS C 19 5.044 -8.932 -1.363 1.00 0.00 O ATOM 274 CB LYS C 19 2.052 -9.562 -2.614 1.00 0.00 C ATOM 275 CG LYS C 19 2.864 -9.385 -3.896 1.00 0.00 C ATOM 276 CD LYS C 19 3.459 -7.989 -4.011 1.00 0.00 C ATOM 277 CE LYS C 19 4.184 -7.791 -5.335 1.00 0.00 C ATOM 278 NZ LYS C 19 4.749 -6.420 -5.458 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.123 -9.652 -0.256 1.00 0.00 H new ATOM 0 HA LYS C 19 3.422 -10.870 -1.612 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.290 -10.322 -2.787 1.00 0.00 H new ATOM 0 HB3 LYS C 19 1.529 -8.629 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS C 19 3.666 -10.123 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS C 19 2.226 -9.578 -4.758 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.666 -7.247 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS C 19 4.153 -7.821 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS C 19 4.986 -8.524 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS C 19 3.493 -7.974 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 5.175 -6.303 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 3.991 -5.719 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 5.477 -6.278 -4.729 1.00 0.00 H new ATOM 292 N LEU C 20 3.382 -7.887 -0.264 1.00 0.00 N ATOM 293 CA LEU C 20 4.206 -6.782 0.198 1.00 0.00 C ATOM 294 C LEU C 20 5.118 -7.235 1.324 1.00 0.00 C ATOM 295 O LEU C 20 6.244 -6.758 1.456 1.00 0.00 O ATOM 296 CB LEU C 20 3.317 -5.631 0.665 1.00 0.00 C ATOM 297 CG LEU C 20 2.369 -5.077 -0.402 1.00 0.00 C ATOM 298 CD1 LEU C 20 1.677 -3.821 0.095 1.00 0.00 C ATOM 299 CD2 LEU C 20 3.113 -4.797 -1.697 1.00 0.00 C ATOM 0 H LEU C 20 2.407 -7.830 0.030 1.00 0.00 H new ATOM 0 HA LEU C 20 4.827 -6.437 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.726 -5.970 1.516 1.00 0.00 H new ATOM 0 HB3 LEU C 20 3.953 -4.821 1.021 1.00 0.00 H new ATOM 0 HG LEU C 20 1.610 -5.833 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.008 -3.444 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.101 -4.053 0.991 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.424 -3.063 0.330 1.00 0.00 H new ATOM 0 HD21 LEU C 20 2.417 -4.404 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.900 -4.065 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.557 -5.721 -2.069 1.00 0.00 H new ATOM 311 N ASN C 21 4.627 -8.156 2.137 1.00 0.00 N ATOM 312 CA ASN C 21 5.448 -8.778 3.164 1.00 0.00 C ATOM 313 C ASN C 21 6.336 -9.843 2.529 1.00 0.00 C ATOM 314 O ASN C 21 6.147 -11.040 2.739 1.00 0.00 O ATOM 315 CB ASN C 21 4.572 -9.384 4.267 1.00 0.00 C ATOM 316 CG ASN C 21 4.104 -8.353 5.286 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.756 -8.137 6.306 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.975 -7.706 5.021 1.00 0.00 N ATOM 0 H ASN C 21 3.664 -8.490 2.106 1.00 0.00 H new ATOM 0 HA ASN C 21 6.080 -8.018 3.624 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.702 -9.860 3.813 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.132 -10.166 4.780 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.624 -7.005 5.673 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.459 -7.910 4.165 1.00 0.00 H new ATOM 325 N LYS C 22 7.306 -9.387 1.743 1.00 0.00 N ATOM 326 CA LYS C 22 8.120 -10.274 0.917 1.00 0.00 C ATOM 327 C LYS C 22 9.502 -10.537 1.518 1.00 0.00 C ATOM 328 O LYS C 22 10.374 -11.104 0.859 1.00 0.00 O ATOM 329 CB LYS C 22 8.235 -9.701 -0.504 1.00 0.00 C ATOM 330 CG LYS C 22 8.524 -8.203 -0.562 1.00 0.00 C ATOM 331 CD LYS C 22 10.013 -7.891 -0.490 1.00 0.00 C ATOM 332 CE LYS C 22 10.269 -6.391 -0.503 1.00 0.00 C ATOM 333 NZ LYS C 22 9.415 -5.696 -1.504 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.549 -8.400 1.660 1.00 0.00 H new ATOM 0 HA LYS C 22 7.617 -11.240 0.877 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.027 -10.232 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.306 -9.900 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.115 -7.793 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.012 -7.706 0.262 1.00 0.00 H new ATOM 0 HD2 LYS C 22 10.433 -8.325 0.417 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.525 -8.356 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS C 22 10.076 -5.980 0.488 1.00 0.00 H new ATOM 0 HE3 LYS C 22 11.319 -6.203 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.763 -4.726 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 9.451 -6.210 -2.407 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 8.433 -5.665 -1.161 1.00 0.00 H new ATOM 347 N GLY C 23 9.703 -10.120 2.757 1.00 0.00 N ATOM 348 CA GLY C 23 10.943 -10.425 3.443 1.00 0.00 C ATOM 349 C GLY C 23 11.709 -9.185 3.835 1.00 0.00 C ATOM 350 O GLY C 23 11.844 -8.879 5.018 1.00 0.00 O ATOM 0 H GLY C 23 9.032 -9.577 3.301 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.725 -11.011 4.336 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.567 -11.045 2.799 1.00 0.00 H new ATOM 354 N LYS C 24 12.204 -8.478 2.838 1.00 0.00 N ATOM 355 CA LYS C 24 12.959 -7.254 3.045 1.00 0.00 C ATOM 356 C LYS C 24 12.078 -6.043 2.803 1.00 0.00 C ATOM 357 O LYS C 24 11.952 -5.582 1.676 1.00 0.00 O ATOM 358 CB LYS C 24 14.147 -7.223 2.086 1.00 0.00 C ATOM 359 CG LYS C 24 15.475 -7.583 2.717 1.00 0.00 C ATOM 360 CD LYS C 24 15.982 -6.451 3.583 1.00 0.00 C ATOM 361 CE LYS C 24 16.529 -5.300 2.751 1.00 0.00 C ATOM 362 NZ LYS C 24 17.766 -5.684 2.018 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.094 -8.736 1.857 1.00 0.00 H new ATOM 0 HA LYS C 24 13.316 -7.228 4.075 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.952 -7.911 1.264 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.223 -6.225 1.655 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.364 -8.485 3.318 1.00 0.00 H new ATOM 0 HG3 LYS C 24 16.204 -7.806 1.938 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.173 -6.088 4.217 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.763 -6.823 4.246 1.00 0.00 H new ATOM 0 HE2 LYS C 24 15.771 -4.975 2.038 1.00 0.00 H new ATOM 0 HE3 LYS C 24 16.741 -4.451 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 18.237 -4.829 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 18.408 -6.189 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.519 -6.303 1.220 1.00 0.00 H new ATOM 376 N GLY C 25 11.460 -5.534 3.853 1.00 0.00 N ATOM 377 CA GLY C 25 10.569 -4.410 3.687 1.00 0.00 C ATOM 378 C GLY C 25 9.164 -4.853 3.421 1.00 0.00 C ATOM 379 O GLY C 25 8.915 -5.664 2.527 1.00 0.00 O ATOM 0 H GLY C 25 11.558 -5.875 4.809 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.592 -3.792 4.584 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.917 -3.788 2.862 1.00 0.00 H new ATOM 383 N LYS C 26 8.241 -4.354 4.213 1.00 0.00 N ATOM 384 CA LYS C 26 6.868 -4.805 4.108 1.00 0.00 C ATOM 385 C LYS C 26 5.871 -3.722 4.481 1.00 0.00 C ATOM 386 O LYS C 26 6.137 -2.895 5.350 1.00 0.00 O ATOM 387 CB LYS C 26 6.715 -6.015 5.008 1.00 0.00 C ATOM 388 CG LYS C 26 7.401 -5.827 6.347 1.00 0.00 C ATOM 389 CD LYS C 26 7.772 -7.158 6.974 1.00 0.00 C ATOM 390 CE LYS C 26 8.762 -7.916 6.106 1.00 0.00 C ATOM 391 NZ LYS C 26 9.348 -9.075 6.824 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.410 -3.646 4.927 1.00 0.00 H new ATOM 0 HA LYS C 26 6.652 -5.062 3.071 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.655 -6.213 5.170 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.130 -6.891 4.509 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.299 -5.223 6.215 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.743 -5.277 7.020 1.00 0.00 H new ATOM 0 HD2 LYS C 26 8.203 -6.991 7.961 1.00 0.00 H new ATOM 0 HD3 LYS C 26 6.874 -7.759 7.116 1.00 0.00 H new ATOM 0 HE2 LYS C 26 8.262 -8.263 5.202 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.559 -7.243 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.283 -9.295 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.449 -8.844 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.724 -9.900 6.719 1.00 0.00 H new ATOM 405 N LEU C 27 4.726 -3.737 3.807 1.00 0.00 N ATOM 406 CA LEU C 27 3.654 -2.794 4.086 1.00 0.00 C ATOM 407 C LEU C 27 2.437 -3.549 4.614 1.00 0.00 C ATOM 408 O LEU C 27 1.804 -4.307 3.876 1.00 0.00 O ATOM 409 CB LEU C 27 3.241 -2.008 2.822 1.00 0.00 C ATOM 410 CG LEU C 27 4.360 -1.282 2.070 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.118 -2.237 1.154 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.793 -0.118 1.273 1.00 0.00 C ATOM 0 H LEU C 27 4.518 -4.398 3.059 1.00 0.00 H new ATOM 0 HA LEU C 27 4.020 -2.085 4.829 1.00 0.00 H new ATOM 0 HB2 LEU C 27 2.761 -2.701 2.132 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.490 -1.272 3.109 1.00 0.00 H new ATOM 0 HG LEU C 27 5.064 -0.893 2.806 1.00 0.00 H new ATOM 0 HD11 LEU C 27 5.906 -1.693 0.633 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.560 -3.037 1.748 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.430 -2.665 0.425 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.600 0.388 0.744 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.065 -0.491 0.553 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.307 0.584 1.950 1.00 0.00 H new ATOM 424 N SER C 28 2.124 -3.368 5.884 1.00 0.00 N ATOM 425 CA SER C 28 0.934 -3.970 6.468 1.00 0.00 C ATOM 426 C SER C 28 -0.272 -3.064 6.232 1.00 0.00 C ATOM 427 O SER C 28 -0.328 -1.950 6.752 1.00 0.00 O ATOM 428 CB SER C 28 1.140 -4.199 7.963 1.00 0.00 C ATOM 429 OG SER C 28 2.214 -5.092 8.197 1.00 0.00 O ATOM 0 H SER C 28 2.677 -2.809 6.534 1.00 0.00 H new ATOM 0 HA SER C 28 0.751 -4.933 5.992 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.340 -3.248 8.456 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.227 -4.600 8.402 1.00 0.00 H new ATOM 0 HG SER C 28 2.327 -5.222 9.162 1.00 0.00 H new ATOM 435 N LEU C 29 -1.236 -3.550 5.466 1.00 0.00 N ATOM 436 CA LEU C 29 -2.347 -2.724 5.010 1.00 0.00 C ATOM 437 C LEU C 29 -3.606 -2.990 5.801 1.00 0.00 C ATOM 438 O LEU C 29 -3.988 -4.142 6.013 1.00 0.00 O ATOM 439 CB LEU C 29 -2.618 -3.002 3.534 1.00 0.00 C ATOM 440 CG LEU C 29 -1.379 -3.062 2.648 1.00 0.00 C ATOM 441 CD1 LEU C 29 -1.749 -3.577 1.270 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.721 -1.696 2.553 1.00 0.00 C ATOM 0 H LEU C 29 -1.273 -4.517 5.145 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.066 -1.681 5.157 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.151 -3.949 3.451 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.282 -2.228 3.151 1.00 0.00 H new ATOM 0 HG LEU C 29 -0.662 -3.750 3.096 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.857 -3.616 0.645 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -2.175 -4.576 1.357 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -2.481 -2.909 0.816 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.161 -1.761 1.916 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -1.425 -0.982 2.126 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -0.426 -1.364 3.549 1.00 0.00 H new ATOM 454 N SER C 30 -4.246 -1.918 6.240 1.00 0.00 N ATOM 455 CA SER C 30 -5.547 -2.026 6.850 1.00 0.00 C ATOM 456 C SER C 30 -6.367 -0.764 6.591 1.00 0.00 C ATOM 457 O SER C 30 -5.844 0.353 6.656 1.00 0.00 O ATOM 458 CB SER C 30 -5.421 -2.302 8.351 1.00 0.00 C ATOM 459 OG SER C 30 -4.559 -1.368 8.972 1.00 0.00 O ATOM 0 H SER C 30 -3.880 -0.968 6.182 1.00 0.00 H new ATOM 0 HA SER C 30 -6.071 -2.868 6.398 1.00 0.00 H new ATOM 0 HB2 SER C 30 -6.406 -2.257 8.816 1.00 0.00 H new ATOM 0 HB3 SER C 30 -5.041 -3.312 8.507 1.00 0.00 H new ATOM 0 HG SER C 30 -3.897 -1.845 9.515 1.00 0.00 H new ATOM 465 N MET C 31 -7.644 -0.949 6.269 1.00 0.00 N ATOM 466 CA MET C 31 -8.541 0.169 5.997 1.00 0.00 C ATOM 467 C MET C 31 -9.686 0.191 6.994 1.00 0.00 C ATOM 468 O MET C 31 -10.365 -0.819 7.198 1.00 0.00 O ATOM 469 CB MET C 31 -9.117 0.081 4.582 1.00 0.00 C ATOM 470 CG MET C 31 -8.106 0.352 3.482 1.00 0.00 C ATOM 471 SD MET C 31 -8.820 0.225 1.828 1.00 0.00 S ATOM 472 CE MET C 31 -10.083 1.497 1.903 1.00 0.00 C ATOM 0 H MET C 31 -8.082 -1.867 6.190 1.00 0.00 H new ATOM 0 HA MET C 31 -7.957 1.085 6.089 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.540 -0.913 4.435 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.937 0.793 4.490 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.688 1.350 3.617 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.280 -0.354 3.572 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.365 1.790 0.892 1.00 0.00 H new ATOM 0 HE2 MET C 31 -10.958 1.111 2.426 1.00 0.00 H new ATOM 0 HE3 MET C 31 -9.695 2.364 2.437 1.00 0.00 H new ATOM 482 N ASN C 32 -9.896 1.335 7.619 1.00 0.00 N ATOM 483 CA ASN C 32 -11.020 1.508 8.522 1.00 0.00 C ATOM 484 C ASN C 32 -11.737 2.816 8.222 1.00 0.00 C ATOM 485 O ASN C 32 -11.358 3.877 8.726 1.00 0.00 O ATOM 486 CB ASN C 32 -10.563 1.485 9.983 1.00 0.00 C ATOM 487 CG ASN C 32 -11.732 1.447 10.953 1.00 0.00 C ATOM 488 OD1 ASN C 32 -12.194 0.376 11.345 1.00 0.00 O ATOM 489 ND2 ASN C 32 -12.221 2.615 11.344 1.00 0.00 N ATOM 0 H ASN C 32 -9.303 2.159 7.518 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.708 0.677 8.367 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.928 0.615 10.149 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -9.955 2.367 10.185 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -13.008 2.647 11.992 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -11.811 3.482 10.997 1.00 0.00 H new ATOM 496 N GLY C 33 -12.754 2.734 7.378 1.00 0.00 N ATOM 497 CA GLY C 33 -13.560 3.893 7.054 1.00 0.00 C ATOM 498 C GLY C 33 -12.819 4.921 6.216 1.00 0.00 C ATOM 499 O GLY C 33 -12.783 4.821 4.991 1.00 0.00 O ATOM 0 H GLY C 33 -13.038 1.875 6.907 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.451 3.569 6.516 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.898 4.362 7.978 1.00 0.00 H new ATOM 503 N ASN C 34 -12.218 5.898 6.877 1.00 0.00 N ATOM 504 CA ASN C 34 -11.599 7.025 6.190 1.00 0.00 C ATOM 505 C ASN C 34 -10.082 6.956 6.246 1.00 0.00 C ATOM 506 O ASN C 34 -9.408 7.975 6.089 1.00 0.00 O ATOM 507 CB ASN C 34 -12.032 8.337 6.840 1.00 0.00 C ATOM 508 CG ASN C 34 -11.629 8.414 8.306 1.00 0.00 C ATOM 509 OD1 ASN C 34 -12.449 8.200 9.196 1.00 0.00 O ATOM 510 ND2 ASN C 34 -10.349 8.652 8.567 1.00 0.00 N ATOM 0 H ASN C 34 -12.145 5.935 7.894 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.922 6.980 5.150 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -11.588 9.172 6.299 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.114 8.442 6.756 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.018 8.661 9.532 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -9.696 8.826 7.803 1.00 0.00 H new ATOM 517 N GLN C 35 -9.537 5.782 6.466 1.00 0.00 N ATOM 518 CA GLN C 35 -8.127 5.683 6.764 1.00 0.00 C ATOM 519 C GLN C 35 -7.466 4.511 6.060 1.00 0.00 C ATOM 520 O GLN C 35 -8.070 3.456 5.858 1.00 0.00 O ATOM 521 CB GLN C 35 -7.914 5.560 8.273 1.00 0.00 C ATOM 522 CG GLN C 35 -6.448 5.534 8.666 1.00 0.00 C ATOM 523 CD GLN C 35 -6.225 5.330 10.154 1.00 0.00 C ATOM 524 OE1 GLN C 35 -5.218 4.759 10.567 1.00 0.00 O ATOM 525 NE2 GLN C 35 -7.150 5.808 10.972 1.00 0.00 N ATOM 0 H GLN C 35 -10.039 4.894 6.445 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.659 6.596 6.395 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.403 6.396 8.773 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.396 4.650 8.629 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -5.947 4.736 8.118 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.981 6.471 8.361 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -7.973 6.276 10.593 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -7.039 5.708 11.981 1.00 0.00 H new ATOM 534 N LEU C 36 -6.221 4.736 5.688 1.00 0.00 N ATOM 535 CA LEU C 36 -5.346 3.699 5.195 1.00 0.00 C ATOM 536 C LEU C 36 -4.054 3.786 5.995 1.00 0.00 C ATOM 537 O LEU C 36 -3.272 4.718 5.817 1.00 0.00 O ATOM 538 CB LEU C 36 -5.096 3.892 3.687 1.00 0.00 C ATOM 539 CG LEU C 36 -4.293 2.789 2.954 1.00 0.00 C ATOM 540 CD1 LEU C 36 -2.816 2.821 3.317 1.00 0.00 C ATOM 541 CD2 LEU C 36 -4.869 1.413 3.244 1.00 0.00 C ATOM 0 H LEU C 36 -5.786 5.658 5.721 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.790 2.711 5.317 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.063 3.989 3.194 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.572 4.838 3.550 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.380 2.993 1.887 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.292 2.030 2.780 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.394 3.788 3.042 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -2.702 2.668 4.390 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.287 0.657 2.717 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -4.829 1.220 4.316 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -5.905 1.374 2.907 1.00 0.00 H new ATOM 553 N LYS C 37 -3.870 2.856 6.913 1.00 0.00 N ATOM 554 CA LYS C 37 -2.663 2.820 7.726 1.00 0.00 C ATOM 555 C LYS C 37 -1.815 1.635 7.304 1.00 0.00 C ATOM 556 O LYS C 37 -2.131 0.478 7.592 1.00 0.00 O ATOM 557 CB LYS C 37 -3.010 2.741 9.223 1.00 0.00 C ATOM 558 CG LYS C 37 -3.980 1.630 9.591 1.00 0.00 C ATOM 559 CD LYS C 37 -4.187 1.546 11.095 1.00 0.00 C ATOM 560 CE LYS C 37 -5.141 0.420 11.463 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.334 0.308 12.933 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.540 2.114 7.117 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.099 3.740 7.571 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.089 2.603 9.789 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.436 3.695 9.534 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -4.937 1.804 9.100 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.601 0.677 9.221 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.228 1.387 11.587 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -4.581 2.493 11.463 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.105 0.591 10.983 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.755 -0.523 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.991 -0.472 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.419 0.119 13.390 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.727 1.198 13.300 1.00 0.00 H new ATOM 575 N ALA C 38 -0.752 1.928 6.588 1.00 0.00 N ATOM 576 CA ALA C 38 0.196 0.915 6.201 1.00 0.00 C ATOM 577 C ALA C 38 1.431 1.040 7.064 1.00 0.00 C ATOM 578 O ALA C 38 2.076 2.086 7.091 1.00 0.00 O ATOM 579 CB ALA C 38 0.538 1.045 4.724 1.00 0.00 C ATOM 0 H ALA C 38 -0.524 2.867 6.262 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.239 -0.073 6.350 1.00 0.00 H new ATOM 0 HB1 ALA C 38 1.255 0.272 4.447 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.368 0.929 4.129 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.972 2.027 4.536 1.00 0.00 H new ATOM 585 N THR C 39 1.736 -0.004 7.803 1.00 0.00 N ATOM 586 CA THR C 39 2.891 0.009 8.670 1.00 0.00 C ATOM 587 C THR C 39 4.003 -0.824 8.058 1.00 0.00 C ATOM 588 O THR C 39 3.754 -1.896 7.504 1.00 0.00 O ATOM 589 CB THR C 39 2.551 -0.524 10.074 1.00 0.00 C ATOM 590 OG1 THR C 39 2.165 -1.897 9.989 1.00 0.00 O ATOM 591 CG2 THR C 39 1.425 0.282 10.706 1.00 0.00 C ATOM 0 H THR C 39 1.200 -0.872 7.820 1.00 0.00 H new ATOM 0 HA THR C 39 3.220 1.043 8.775 1.00 0.00 H new ATOM 0 HB THR C 39 3.439 -0.428 10.699 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.951 -2.233 10.885 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.205 -0.115 11.697 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.729 1.325 10.793 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.534 0.214 10.082 1.00 0.00 H new ATOM 599 N SER C 40 5.215 -0.332 8.157 1.00 0.00 N ATOM 600 CA SER C 40 6.352 -0.989 7.555 1.00 0.00 C ATOM 601 C SER C 40 7.253 -1.580 8.620 1.00 0.00 C ATOM 602 O SER C 40 7.772 -0.866 9.479 1.00 0.00 O ATOM 603 CB SER C 40 7.126 -0.001 6.693 1.00 0.00 C ATOM 604 OG SER C 40 8.357 -0.550 6.255 1.00 0.00 O ATOM 0 H SER C 40 5.441 0.530 8.654 1.00 0.00 H new ATOM 0 HA SER C 40 5.992 -1.802 6.924 1.00 0.00 H new ATOM 0 HB2 SER C 40 6.524 0.280 5.829 1.00 0.00 H new ATOM 0 HB3 SER C 40 7.314 0.910 7.261 1.00 0.00 H new ATOM 0 HG SER C 40 8.228 -1.491 6.015 1.00 0.00 H new ATOM 610 N SER C 41 7.417 -2.888 8.571 1.00 0.00 N ATOM 611 CA SER C 41 8.351 -3.558 9.442 1.00 0.00 C ATOM 612 C SER C 41 9.690 -3.700 8.730 1.00 0.00 C ATOM 613 O SER C 41 9.791 -3.386 7.530 1.00 0.00 O ATOM 614 CB SER C 41 7.803 -4.922 9.880 1.00 0.00 C ATOM 615 OG SER C 41 8.695 -5.592 10.759 1.00 0.00 O ATOM 0 H SER C 41 6.912 -3.505 7.934 1.00 0.00 H new ATOM 0 HA SER C 41 8.495 -2.963 10.344 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.841 -4.786 10.373 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.625 -5.542 9.001 1.00 0.00 H new ATOM 0 HG SER C 41 8.312 -6.456 11.018 1.00 0.00 H new ATOM 621 N ASN C 42 10.688 -4.191 9.478 1.00 0.00 N ATOM 622 CA ASN C 42 12.087 -4.240 9.048 1.00 0.00 C ATOM 623 C ASN C 42 12.738 -2.881 9.234 1.00 0.00 C ATOM 624 O ASN C 42 13.681 -2.531 8.532 1.00 0.00 O ATOM 625 CB ASN C 42 12.242 -4.715 7.598 1.00 0.00 C ATOM 626 CG ASN C 42 11.989 -6.197 7.430 1.00 0.00 C ATOM 627 OD1 ASN C 42 11.429 -6.621 6.427 1.00 0.00 O ATOM 628 ND2 ASN C 42 12.431 -7.001 8.385 1.00 0.00 N ATOM 0 H ASN C 42 10.540 -4.571 10.413 1.00 0.00 H new ATOM 0 HA ASN C 42 12.592 -4.974 9.676 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.550 -4.160 6.964 1.00 0.00 H new ATOM 0 HB3 ASN C 42 13.249 -4.483 7.251 1.00 0.00 H new ATOM 0 HD21 ASN C 42 12.310 -8.010 8.299 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.893 -6.611 9.207 1.00 0.00 H new ATOM 635 N ALA C 43 12.206 -2.115 10.186 1.00 0.00 N ATOM 636 CA ALA C 43 12.757 -0.811 10.559 1.00 0.00 C ATOM 637 C ALA C 43 12.783 0.160 9.379 1.00 0.00 C ATOM 638 O ALA C 43 13.610 1.074 9.326 1.00 0.00 O ATOM 639 CB ALA C 43 14.146 -0.979 11.152 1.00 0.00 C ATOM 0 H ALA C 43 11.380 -2.381 10.722 1.00 0.00 H new ATOM 0 HA ALA C 43 12.100 -0.378 11.313 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.545 -0.002 11.426 1.00 0.00 H new ATOM 0 HB2 ALA C 43 14.089 -1.609 12.040 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.801 -1.446 10.417 1.00 0.00 H new ATOM 645 N GLY C 44 11.873 -0.041 8.435 1.00 0.00 N ATOM 646 CA GLY C 44 11.782 0.846 7.293 1.00 0.00 C ATOM 647 C GLY C 44 12.717 0.455 6.163 1.00 0.00 C ATOM 648 O GLY C 44 12.956 1.249 5.253 1.00 0.00 O ATOM 0 H GLY C 44 11.196 -0.804 8.440 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.756 0.850 6.924 1.00 0.00 H new ATOM 0 HA3 GLY C 44 12.010 1.863 7.611 1.00 0.00 H new ATOM 652 N TYR C 45 13.258 -0.757 6.225 1.00 0.00 N ATOM 653 CA TYR C 45 14.102 -1.278 5.150 1.00 0.00 C ATOM 654 C TYR C 45 13.333 -1.341 3.843 1.00 0.00 C ATOM 655 O TYR C 45 12.143 -1.642 3.829 1.00 0.00 O ATOM 656 CB TYR C 45 14.617 -2.676 5.491 1.00 0.00 C ATOM 657 CG TYR C 45 15.871 -2.698 6.336 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.619 -3.861 6.449 1.00 0.00 C ATOM 659 CD2 TYR C 45 16.315 -1.565 7.010 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.769 -3.898 7.206 1.00 0.00 C ATOM 661 CE2 TYR C 45 17.467 -1.595 7.771 1.00 0.00 C ATOM 662 CZ TYR C 45 18.190 -2.765 7.865 1.00 0.00 C ATOM 663 OH TYR C 45 19.341 -2.802 8.618 1.00 0.00 O ATOM 0 H TYR C 45 13.129 -1.399 7.007 1.00 0.00 H new ATOM 0 HA TYR C 45 14.947 -0.599 5.040 1.00 0.00 H new ATOM 0 HB2 TYR C 45 13.832 -3.220 6.016 1.00 0.00 H new ATOM 0 HB3 TYR C 45 14.811 -3.213 4.563 1.00 0.00 H new ATOM 0 HD1 TYR C 45 16.294 -4.753 5.934 1.00 0.00 H new ATOM 0 HD2 TYR C 45 15.750 -0.648 6.937 1.00 0.00 H new ATOM 0 HE1 TYR C 45 18.338 -4.813 7.282 1.00 0.00 H new ATOM 0 HE2 TYR C 45 17.799 -0.708 8.289 1.00 0.00 H new ATOM 0 HH TYR C 45 19.500 -1.921 9.017 1.00 0.00 H new ATOM 673 N GLY C 46 14.027 -1.048 2.756 1.00 0.00 N ATOM 674 CA GLY C 46 13.426 -1.126 1.444 1.00 0.00 C ATOM 675 C GLY C 46 13.487 -2.533 0.887 1.00 0.00 C ATOM 676 O GLY C 46 13.860 -3.461 1.604 1.00 0.00 O ATOM 0 H GLY C 46 15.004 -0.755 2.760 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.387 -0.800 1.499 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.939 -0.443 0.767 1.00 0.00 H new ATOM 680 N ILE C 47 13.164 -2.674 -0.400 1.00 0.00 N ATOM 681 CA ILE C 47 13.086 -3.984 -1.058 1.00 0.00 C ATOM 682 C ILE C 47 14.304 -4.821 -0.786 1.00 0.00 C ATOM 683 O ILE C 47 14.206 -5.933 -0.304 1.00 0.00 O ATOM 684 CB ILE C 47 13.052 -3.871 -2.576 1.00 0.00 C ATOM 685 CG1 ILE C 47 12.185 -2.712 -3.030 1.00 0.00 C ATOM 686 CG2 ILE C 47 12.564 -5.176 -3.192 1.00 0.00 C ATOM 687 CD1 ILE C 47 12.219 -2.501 -4.522 1.00 0.00 C ATOM 0 H ILE C 47 12.950 -1.889 -1.015 1.00 0.00 H new ATOM 0 HA ILE C 47 12.174 -4.428 -0.659 1.00 0.00 H new ATOM 0 HB ILE C 47 14.068 -3.676 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE C 47 11.156 -2.891 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.516 -1.801 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE C 47 12.545 -5.081 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE C 47 13.238 -5.985 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE C 47 11.560 -5.397 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE C 47 11.580 -1.658 -4.785 1.00 0.00 H new ATOM 0 HD12 ILE C 47 13.242 -2.293 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE C 47 11.861 -3.399 -5.025 1.00 0.00 H new ATOM 699 N SER C 48 15.445 -4.284 -1.182 1.00 0.00 N ATOM 700 CA SER C 48 16.709 -4.959 -1.033 1.00 0.00 C ATOM 701 C SER C 48 17.790 -4.143 -1.737 1.00 0.00 C ATOM 702 O SER C 48 18.638 -3.531 -1.087 1.00 0.00 O ATOM 703 CB SER C 48 16.643 -6.381 -1.607 1.00 0.00 C ATOM 704 OG SER C 48 17.774 -7.146 -1.226 1.00 0.00 O ATOM 0 H SER C 48 15.514 -3.364 -1.617 1.00 0.00 H new ATOM 0 HA SER C 48 16.949 -5.046 0.027 1.00 0.00 H new ATOM 0 HB2 SER C 48 15.735 -6.873 -1.259 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.584 -6.334 -2.694 1.00 0.00 H new ATOM 0 HG SER C 48 17.702 -8.047 -1.605 1.00 0.00 H new ATOM 710 N TYR C 49 17.723 -4.096 -3.067 1.00 0.00 N ATOM 711 CA TYR C 49 18.667 -3.313 -3.856 1.00 0.00 C ATOM 712 C TYR C 49 18.171 -3.169 -5.301 1.00 0.00 C ATOM 713 O TYR C 49 18.885 -3.490 -6.253 1.00 0.00 O ATOM 714 CB TYR C 49 20.048 -3.986 -3.827 1.00 0.00 C ATOM 715 CG TYR C 49 21.187 -3.092 -4.280 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.212 -1.747 -3.932 1.00 0.00 C ATOM 717 CD2 TYR C 49 22.243 -3.591 -5.040 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.246 -0.926 -4.326 1.00 0.00 C ATOM 719 CE2 TYR C 49 23.282 -2.770 -5.437 1.00 0.00 C ATOM 720 CZ TYR C 49 23.277 -1.440 -5.079 1.00 0.00 C ATOM 721 OH TYR C 49 24.312 -0.619 -5.468 1.00 0.00 O ATOM 0 H TYR C 49 17.023 -4.592 -3.619 1.00 0.00 H new ATOM 0 HA TYR C 49 18.748 -2.316 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.251 -4.328 -2.812 1.00 0.00 H new ATOM 0 HB3 TYR C 49 20.021 -4.871 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR C 49 20.406 -1.337 -3.342 1.00 0.00 H new ATOM 0 HD2 TYR C 49 22.250 -4.633 -5.323 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.247 0.117 -4.045 1.00 0.00 H new ATOM 0 HE2 TYR C 49 24.094 -3.170 -6.026 1.00 0.00 H new ATOM 0 HH TYR C 49 24.959 -1.135 -5.992 1.00 0.00 H new ATOM 731 N GLU C 50 16.945 -2.675 -5.464 1.00 0.00 N ATOM 732 CA GLU C 50 16.339 -2.550 -6.790 1.00 0.00 C ATOM 733 C GLU C 50 15.254 -1.486 -6.806 1.00 0.00 C ATOM 734 O GLU C 50 14.633 -1.210 -5.787 1.00 0.00 O ATOM 735 CB GLU C 50 15.769 -3.903 -7.240 1.00 0.00 C ATOM 736 CG GLU C 50 14.996 -4.636 -6.155 1.00 0.00 C ATOM 737 CD GLU C 50 14.704 -6.077 -6.520 1.00 0.00 C ATOM 738 OE1 GLU C 50 15.611 -6.924 -6.380 1.00 0.00 O ATOM 739 OE2 GLU C 50 13.566 -6.374 -6.932 1.00 0.00 O1- ATOM 0 H GLU C 50 16.353 -2.355 -4.698 1.00 0.00 H new ATOM 0 HA GLU C 50 17.117 -2.241 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.113 -3.744 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.588 -4.537 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.566 -4.609 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU C 50 14.057 -4.115 -5.968 1.00 0.00 H new ATOM 746 N ASP C 51 15.043 -0.883 -7.970 1.00 0.00 N ATOM 747 CA ASP C 51 14.056 0.177 -8.126 1.00 0.00 C ATOM 748 C ASP C 51 12.753 -0.380 -8.679 1.00 0.00 C ATOM 749 O ASP C 51 12.746 -1.107 -9.673 1.00 0.00 O ATOM 750 CB ASP C 51 14.587 1.285 -9.044 1.00 0.00 C ATOM 751 CG ASP C 51 14.815 0.819 -10.470 1.00 0.00 C ATOM 752 OD1 ASP C 51 14.066 1.258 -11.371 1.00 0.00 O ATOM 753 OD2 ASP C 51 15.746 0.015 -10.699 1.00 0.00 O1- ATOM 0 H ASP C 51 15.547 -1.113 -8.826 1.00 0.00 H new ATOM 0 HA ASP C 51 13.864 0.604 -7.142 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.880 2.115 -9.048 1.00 0.00 H new ATOM 0 HB3 ASP C 51 15.524 1.666 -8.639 1.00 0.00 H new ATOM 758 N LYS C 52 11.653 -0.052 -8.023 1.00 0.00 N ATOM 759 CA LYS C 52 10.358 -0.538 -8.425 1.00 0.00 C ATOM 760 C LYS C 52 9.386 0.616 -8.583 1.00 0.00 C ATOM 761 O LYS C 52 9.285 1.485 -7.716 1.00 0.00 O ATOM 762 CB LYS C 52 9.843 -1.531 -7.393 1.00 0.00 C ATOM 763 CG LYS C 52 9.954 -2.982 -7.810 1.00 0.00 C ATOM 764 CD LYS C 52 11.401 -3.412 -7.996 1.00 0.00 C ATOM 765 CE LYS C 52 11.504 -4.827 -8.542 1.00 0.00 C ATOM 766 NZ LYS C 52 10.863 -4.958 -9.876 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.639 0.555 -7.203 1.00 0.00 H new ATOM 0 HA LYS C 52 10.448 -1.041 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS C 52 10.395 -1.390 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.798 -1.306 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS C 52 9.482 -3.613 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS C 52 9.408 -3.135 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.900 -2.723 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS C 52 11.924 -3.352 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS C 52 12.554 -5.112 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS C 52 11.033 -5.520 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 11.194 -5.830 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 9.830 -4.997 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 11.116 -4.139 -10.464 1.00 0.00 H new ATOM 780 N ASN C 53 8.668 0.602 -9.688 1.00 0.00 N ATOM 781 CA ASN C 53 7.705 1.644 -9.999 1.00 0.00 C ATOM 782 C ASN C 53 6.362 1.303 -9.386 1.00 0.00 C ATOM 783 O ASN C 53 5.668 0.393 -9.838 1.00 0.00 O ATOM 784 CB ASN C 53 7.582 1.793 -11.515 1.00 0.00 C ATOM 785 CG ASN C 53 6.365 2.586 -11.944 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.739 2.126 -13.009 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 5.977 3.573 -11.316 1.00 0.00 N flip ATOM 0 H ASN C 53 8.734 -0.130 -10.396 1.00 0.00 H new ATOM 0 HA ASN C 53 8.046 2.591 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN C 53 8.478 2.281 -11.899 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.539 0.802 -11.968 1.00 0.00 H new ATOM 0 HD21 ASN C 53 6.495 3.892 -10.497 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.138 4.070 -11.615 1.00 0.00 H new ATOM 794 N TRP C 54 6.010 2.032 -8.346 1.00 0.00 N ATOM 795 CA TRP C 54 4.858 1.710 -7.539 1.00 0.00 C ATOM 796 C TRP C 54 3.756 2.745 -7.646 1.00 0.00 C ATOM 797 O TRP C 54 3.994 3.855 -8.115 1.00 0.00 O ATOM 798 CB TRP C 54 5.299 1.635 -6.107 1.00 0.00 C ATOM 799 CG TRP C 54 5.076 0.305 -5.532 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.931 -0.740 -5.493 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.880 -0.115 -4.942 1.00 0.00 C ATOM 802 NE1 TRP C 54 5.329 -1.803 -4.855 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.051 -1.432 -4.510 1.00 0.00 C ATOM 804 CE3 TRP C 54 2.682 0.526 -4.729 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.031 -2.124 -3.865 1.00 0.00 C ATOM 806 CZ3 TRP C 54 1.682 -0.141 -4.106 1.00 0.00 C ATOM 807 CH2 TRP C 54 1.854 -1.462 -3.672 1.00 0.00 C ATOM 0 H TRP C 54 6.516 2.863 -8.040 1.00 0.00 H new ATOM 0 HA TRP C 54 4.454 0.763 -7.898 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.358 1.886 -6.040 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.758 2.378 -5.522 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.932 -0.742 -5.899 1.00 0.00 H new ATOM 0 HE1 TRP C 54 5.758 -2.710 -4.670 1.00 0.00 H new ATOM 0 HE3 TRP C 54 2.541 1.546 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 3.165 -3.142 -3.531 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 0.736 0.353 -3.941 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.039 -1.966 -3.175 1.00 0.00 H new ATOM 818 N GLY C 55 2.552 2.395 -7.180 1.00 0.00 N ATOM 819 CA GLY C 55 1.494 3.368 -7.138 1.00 0.00 C ATOM 820 C GLY C 55 0.254 2.940 -6.387 1.00 0.00 C ATOM 821 O GLY C 55 0.080 1.777 -6.033 1.00 0.00 O ATOM 0 H GLY C 55 2.305 1.466 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.879 4.280 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.212 3.618 -8.161 1.00 0.00 H new ATOM 825 N ILE C 56 -0.605 3.914 -6.128 1.00 0.00 N ATOM 826 CA ILE C 56 -1.894 3.666 -5.502 1.00 0.00 C ATOM 827 C ILE C 56 -3.000 4.358 -6.276 1.00 0.00 C ATOM 828 O ILE C 56 -2.892 5.542 -6.610 1.00 0.00 O ATOM 829 CB ILE C 56 -1.918 4.150 -4.041 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.798 3.477 -3.275 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.261 3.842 -3.396 1.00 0.00 C ATOM 832 CD1 ILE C 56 -0.740 3.839 -1.811 1.00 0.00 C ATOM 0 H ILE C 56 -0.429 4.895 -6.345 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.056 2.588 -5.512 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.774 5.230 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.910 2.397 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.153 3.739 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.258 4.192 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.054 4.347 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.435 2.766 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE C 56 0.090 3.314 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.595 4.914 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.674 3.551 -1.328 1.00 0.00 H new ATOM 844 N PHE C 57 -4.057 3.618 -6.563 1.00 0.00 N ATOM 845 CA PHE C 57 -5.178 4.151 -7.314 1.00 0.00 C ATOM 846 C PHE C 57 -6.482 3.943 -6.559 1.00 0.00 C ATOM 847 O PHE C 57 -6.837 2.820 -6.207 1.00 0.00 O ATOM 848 CB PHE C 57 -5.260 3.488 -8.691 1.00 0.00 C ATOM 849 CG PHE C 57 -3.965 3.527 -9.447 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.597 4.652 -10.165 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.109 2.437 -9.427 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.398 4.690 -10.850 1.00 0.00 C ATOM 853 CE2 PHE C 57 -1.911 2.470 -10.110 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.555 3.598 -10.821 1.00 0.00 C ATOM 0 H PHE C 57 -4.161 2.642 -6.285 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.020 5.222 -7.445 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.570 2.450 -8.569 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.031 3.984 -9.280 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.254 5.509 -10.190 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -3.383 1.553 -8.871 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.121 5.573 -11.407 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -1.253 1.614 -10.088 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.617 3.626 -11.355 1.00 0.00 H new ATOM 864 N VAL C 58 -7.180 5.033 -6.293 1.00 0.00 N ATOM 865 CA VAL C 58 -8.496 4.963 -5.685 1.00 0.00 C ATOM 866 C VAL C 58 -9.543 5.427 -6.693 1.00 0.00 C ATOM 867 O VAL C 58 -9.513 6.569 -7.157 1.00 0.00 O ATOM 868 CB VAL C 58 -8.581 5.789 -4.375 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.183 7.240 -4.598 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.976 5.705 -3.781 1.00 0.00 C ATOM 0 H VAL C 58 -6.856 5.980 -6.489 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.690 3.926 -5.410 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.872 5.358 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.255 7.786 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.158 7.284 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -8.850 7.692 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -10.016 6.291 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.700 6.099 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -10.215 4.665 -3.559 1.00 0.00 H new ATOM 880 N ASN C 59 -10.446 4.517 -7.053 1.00 0.00 N ATOM 881 CA ASN C 59 -11.408 4.749 -8.139 1.00 0.00 C ATOM 882 C ASN C 59 -10.674 4.978 -9.457 1.00 0.00 C ATOM 883 O ASN C 59 -11.129 5.734 -10.317 1.00 0.00 O ATOM 884 CB ASN C 59 -12.335 5.941 -7.856 1.00 0.00 C ATOM 885 CG ASN C 59 -13.305 5.695 -6.719 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.975 6.197 -5.540 1.00 0.00 O flip ATOM 887 ND2 ASN C 59 -14.357 5.085 -6.903 1.00 0.00 N flip ATOM 0 H ASN C 59 -10.535 3.604 -6.607 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.028 3.855 -8.208 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.728 6.816 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.898 6.176 -8.759 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.576 4.713 -7.827 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -15.011 4.951 -6.131 1.00 0.00 H new ATOM 894 N GLY C 60 -9.524 4.327 -9.599 1.00 0.00 N ATOM 895 CA GLY C 60 -8.730 4.458 -10.806 1.00 0.00 C ATOM 896 C GLY C 60 -7.999 5.788 -10.888 1.00 0.00 C ATOM 897 O GLY C 60 -7.549 6.188 -11.962 1.00 0.00 O ATOM 0 H GLY C 60 -9.126 3.707 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.004 3.646 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.378 4.351 -11.676 1.00 0.00 H new ATOM 901 N GLU C 61 -7.874 6.470 -9.758 1.00 0.00 N ATOM 902 CA GLU C 61 -7.217 7.769 -9.722 1.00 0.00 C ATOM 903 C GLU C 61 -5.913 7.695 -8.933 1.00 0.00 C ATOM 904 O GLU C 61 -5.829 6.993 -7.925 1.00 0.00 O ATOM 905 CB GLU C 61 -8.148 8.807 -9.093 1.00 0.00 C ATOM 906 CG GLU C 61 -8.283 10.080 -9.912 1.00 0.00 C ATOM 907 CD GLU C 61 -6.961 10.792 -10.125 1.00 0.00 C ATOM 908 OE1 GLU C 61 -6.214 10.406 -11.053 1.00 0.00 O ATOM 909 OE2 GLU C 61 -6.668 11.747 -9.373 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.219 6.146 -8.855 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.985 8.066 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -9.135 8.364 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -7.777 9.061 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.719 9.837 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -8.976 10.756 -9.411 1.00 0.00 H new ATOM 916 N LYS C 62 -4.908 8.425 -9.397 1.00 0.00 N ATOM 917 CA LYS C 62 -3.604 8.455 -8.747 1.00 0.00 C ATOM 918 C LYS C 62 -3.655 9.237 -7.441 1.00 0.00 C ATOM 919 O LYS C 62 -3.635 10.469 -7.439 1.00 0.00 O ATOM 920 CB LYS C 62 -2.553 9.079 -9.671 1.00 0.00 C ATOM 921 CG LYS C 62 -1.978 8.113 -10.696 1.00 0.00 C ATOM 922 CD LYS C 62 -1.138 8.833 -11.743 1.00 0.00 C ATOM 923 CE LYS C 62 -0.010 9.653 -11.128 1.00 0.00 C ATOM 924 NZ LYS C 62 1.042 8.805 -10.503 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.972 9.010 -10.230 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.326 7.424 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -3.000 9.924 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.739 9.475 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.366 7.367 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -2.791 7.578 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.716 8.101 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.780 9.489 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.442 10.277 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.423 10.325 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 1.904 9.369 -10.361 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 0.704 8.453 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.254 8.000 -11.126 1.00 0.00 H new ATOM 938 N VAL C 63 -3.730 8.520 -6.333 1.00 0.00 N ATOM 939 CA VAL C 63 -3.676 9.145 -5.019 1.00 0.00 C ATOM 940 C VAL C 63 -2.227 9.293 -4.566 1.00 0.00 C ATOM 941 O VAL C 63 -1.840 10.319 -4.004 1.00 0.00 O ATOM 942 CB VAL C 63 -4.503 8.357 -3.963 1.00 0.00 C ATOM 943 CG1 VAL C 63 -4.537 6.876 -4.287 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.952 8.562 -2.557 1.00 0.00 C ATOM 0 H VAL C 63 -3.828 7.505 -6.315 1.00 0.00 H new ATOM 0 HA VAL C 63 -4.126 10.134 -5.106 1.00 0.00 H new ATOM 0 HB VAL C 63 -5.520 8.749 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -5.122 6.352 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -4.993 6.728 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -3.521 6.482 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.553 7.997 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -2.920 8.214 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -3.988 9.621 -2.303 1.00 0.00 H new ATOM 954 N TYR C 64 -1.422 8.278 -4.846 1.00 0.00 N ATOM 955 CA TYR C 64 -0.028 8.284 -4.440 1.00 0.00 C ATOM 956 C TYR C 64 0.793 7.397 -5.371 1.00 0.00 C ATOM 957 O TYR C 64 0.265 6.475 -5.991 1.00 0.00 O ATOM 958 CB TYR C 64 0.095 7.807 -2.987 1.00 0.00 C ATOM 959 CG TYR C 64 1.447 8.074 -2.363 1.00 0.00 C ATOM 960 CD1 TYR C 64 1.818 9.359 -1.992 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.346 7.042 -2.139 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.049 9.608 -1.418 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.580 7.280 -1.565 1.00 0.00 C ATOM 964 CZ TYR C 64 3.927 8.567 -1.206 1.00 0.00 C ATOM 965 OH TYR C 64 5.155 8.816 -0.635 1.00 0.00 O ATOM 0 H TYR C 64 -1.712 7.441 -5.352 1.00 0.00 H new ATOM 0 HA TYR C 64 0.360 9.301 -4.505 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.673 8.297 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR C 64 -0.106 6.736 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.133 10.178 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.077 6.034 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR C 64 3.323 10.614 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.268 6.465 -1.398 1.00 0.00 H new ATOM 0 HH TYR C 64 5.654 7.977 -0.553 1.00 0.00 H new ATOM 975 N THR C 65 2.072 7.705 -5.492 1.00 0.00 N ATOM 976 CA THR C 65 2.990 6.937 -6.320 1.00 0.00 C ATOM 977 C THR C 65 4.393 7.025 -5.716 1.00 0.00 C ATOM 978 O THR C 65 4.762 8.077 -5.193 1.00 0.00 O ATOM 979 CB THR C 65 2.981 7.481 -7.767 1.00 0.00 C ATOM 980 OG1 THR C 65 1.678 7.290 -8.339 1.00 0.00 O ATOM 981 CG2 THR C 65 4.027 6.806 -8.639 1.00 0.00 C ATOM 0 H THR C 65 2.506 8.497 -5.018 1.00 0.00 H new ATOM 0 HA THR C 65 2.678 5.893 -6.351 1.00 0.00 H new ATOM 0 HB THR C 65 3.225 8.543 -7.726 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.750 6.723 -9.135 1.00 0.00 H new ATOM 0 HG21 THR C 65 3.983 7.220 -9.646 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.018 6.978 -8.218 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.831 5.734 -8.679 1.00 0.00 H new ATOM 989 N PHE C 66 5.171 5.941 -5.757 1.00 0.00 N ATOM 990 CA PHE C 66 6.467 5.939 -5.080 1.00 0.00 C ATOM 991 C PHE C 66 7.410 4.882 -5.642 1.00 0.00 C ATOM 992 O PHE C 66 7.066 4.160 -6.579 1.00 0.00 O ATOM 993 CB PHE C 66 6.279 5.724 -3.570 1.00 0.00 C ATOM 994 CG PHE C 66 5.727 4.375 -3.170 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.571 3.285 -3.003 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.373 4.206 -2.928 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.077 2.059 -2.605 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.872 2.979 -2.534 1.00 0.00 C ATOM 999 CZ PHE C 66 4.727 1.906 -2.368 1.00 0.00 C ATOM 0 H PHE C 66 4.934 5.074 -6.239 1.00 0.00 H new ATOM 0 HA PHE C 66 6.923 6.913 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.241 5.864 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.611 6.498 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.629 3.398 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.701 5.043 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.747 1.221 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.814 2.859 -2.356 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.338 0.949 -2.053 1.00 0.00 H new ATOM 1009 N ASN C 67 8.606 4.816 -5.062 1.00 0.00 N ATOM 1010 CA ASN C 67 9.595 3.808 -5.418 1.00 0.00 C ATOM 1011 C ASN C 67 9.906 2.957 -4.192 1.00 0.00 C ATOM 1012 O ASN C 67 10.253 3.482 -3.133 1.00 0.00 O ATOM 1013 CB ASN C 67 10.874 4.471 -5.937 1.00 0.00 C ATOM 1014 CG ASN C 67 11.838 3.490 -6.588 1.00 0.00 C ATOM 1015 OD1 ASN C 67 11.909 2.314 -6.223 1.00 0.00 O ATOM 1016 ND2 ASN C 67 12.589 3.971 -7.562 1.00 0.00 N ATOM 0 H ASN C 67 8.914 5.460 -4.333 1.00 0.00 H new ATOM 0 HA ASN C 67 9.193 3.176 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN C 67 10.608 5.242 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.378 4.970 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN C 67 13.255 3.364 -8.039 1.00 0.00 H new ATOM 0 HD22 ASN C 67 12.503 4.949 -7.837 1.00 0.00 H new ATOM 1023 N GLU C 68 9.791 1.649 -4.356 1.00 0.00 N ATOM 1024 CA GLU C 68 9.881 0.701 -3.248 1.00 0.00 C ATOM 1025 C GLU C 68 11.244 0.695 -2.557 1.00 0.00 C ATOM 1026 O GLU C 68 11.338 0.336 -1.385 1.00 0.00 O ATOM 1027 CB GLU C 68 9.594 -0.701 -3.755 1.00 0.00 C ATOM 1028 CG GLU C 68 8.259 -1.274 -3.347 1.00 0.00 C ATOM 1029 CD GLU C 68 8.243 -2.790 -3.382 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.982 -3.413 -2.593 1.00 0.00 O ATOM 1031 OE2 GLU C 68 7.484 -3.368 -4.192 1.00 0.00 O1- ATOM 0 H GLU C 68 9.632 1.210 -5.263 1.00 0.00 H new ATOM 0 HA GLU C 68 9.144 1.021 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.651 -0.695 -4.844 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.380 -1.366 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.014 -0.934 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU C 68 7.484 -0.890 -4.011 1.00 0.00 H new ATOM 1038 N LYS C 69 12.298 1.073 -3.269 1.00 0.00 N ATOM 1039 CA LYS C 69 13.644 0.983 -2.707 1.00 0.00 C ATOM 1040 C LYS C 69 13.912 2.103 -1.717 1.00 0.00 C ATOM 1041 O LYS C 69 14.987 2.161 -1.111 1.00 0.00 O ATOM 1042 CB LYS C 69 14.700 0.996 -3.802 1.00 0.00 C ATOM 1043 CG LYS C 69 14.754 2.287 -4.582 1.00 0.00 C ATOM 1044 CD LYS C 69 15.632 2.128 -5.812 1.00 0.00 C ATOM 1045 CE LYS C 69 16.864 3.014 -5.751 1.00 0.00 C ATOM 1046 NZ LYS C 69 16.519 4.460 -5.775 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.252 1.439 -4.220 1.00 0.00 H new ATOM 0 HA LYS C 69 13.703 0.033 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.677 0.812 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.505 0.174 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.748 2.580 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.144 3.085 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.939 1.086 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.054 2.372 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.425 2.791 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.517 2.784 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 17.355 5.012 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 15.753 4.623 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 16.206 4.758 -4.829 1.00 0.00 H new ATOM 1060 N SER C 70 12.945 2.993 -1.551 1.00 0.00 N ATOM 1061 CA SER C 70 13.030 3.991 -0.513 1.00 0.00 C ATOM 1062 C SER C 70 12.748 3.305 0.827 1.00 0.00 C ATOM 1063 O SER C 70 12.682 2.076 0.891 1.00 0.00 O ATOM 1064 CB SER C 70 12.029 5.114 -0.776 1.00 0.00 C ATOM 1065 OG SER C 70 12.066 5.527 -2.135 1.00 0.00 O ATOM 0 H SER C 70 12.100 3.039 -2.121 1.00 0.00 H new ATOM 0 HA SER C 70 14.024 4.438 -0.494 1.00 0.00 H new ATOM 0 HB2 SER C 70 11.024 4.776 -0.523 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.252 5.962 -0.129 1.00 0.00 H new ATOM 0 HG SER C 70 11.482 4.949 -2.669 1.00 0.00 H new ATOM 1071 N THR C 71 12.579 4.054 1.898 1.00 0.00 N ATOM 1072 CA THR C 71 12.293 3.429 3.162 1.00 0.00 C ATOM 1073 C THR C 71 10.792 3.261 3.294 1.00 0.00 C ATOM 1074 O THR C 71 10.047 4.243 3.304 1.00 0.00 O ATOM 1075 CB THR C 71 12.859 4.245 4.344 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.295 5.564 4.364 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.373 4.350 4.247 1.00 0.00 C ATOM 0 H THR C 71 12.634 5.072 1.915 1.00 0.00 H new ATOM 0 HA THR C 71 12.779 2.454 3.192 1.00 0.00 H new ATOM 0 HB THR C 71 12.593 3.726 5.265 1.00 0.00 H new ATOM 0 HG1 THR C 71 13.014 6.226 4.441 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.752 4.929 5.089 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.809 3.351 4.267 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.644 4.845 3.315 1.00 0.00 H new ATOM 1085 N VAL C 72 10.356 2.012 3.369 1.00 0.00 N ATOM 1086 CA VAL C 72 8.940 1.676 3.340 1.00 0.00 C ATOM 1087 C VAL C 72 8.171 2.361 4.473 1.00 0.00 C ATOM 1088 O VAL C 72 6.955 2.497 4.411 1.00 0.00 O ATOM 1089 CB VAL C 72 8.731 0.144 3.404 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.301 -0.232 3.079 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.681 -0.568 2.456 1.00 0.00 C ATOM 0 H VAL C 72 10.973 1.204 3.452 1.00 0.00 H new ATOM 0 HA VAL C 72 8.544 2.044 2.394 1.00 0.00 H new ATOM 0 HB VAL C 72 8.945 -0.173 4.425 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.188 -1.315 3.133 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.629 0.239 3.796 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.055 0.109 2.073 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.517 -1.644 2.517 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.498 -0.230 1.436 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.710 -0.341 2.734 1.00 0.00 H new ATOM 1101 N GLY C 73 8.884 2.837 5.482 1.00 0.00 N ATOM 1102 CA GLY C 73 8.221 3.484 6.599 1.00 0.00 C ATOM 1103 C GLY C 73 7.858 4.911 6.282 1.00 0.00 C ATOM 1104 O GLY C 73 6.739 5.346 6.559 1.00 0.00 O ATOM 0 H GLY C 73 9.901 2.789 5.550 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.320 2.928 6.858 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.873 3.460 7.472 1.00 0.00 H new ATOM 1108 N ASN C 74 8.789 5.639 5.679 1.00 0.00 N ATOM 1109 CA ASN C 74 8.501 6.990 5.227 1.00 0.00 C ATOM 1110 C ASN C 74 7.532 6.934 4.059 1.00 0.00 C ATOM 1111 O ASN C 74 6.759 7.857 3.836 1.00 0.00 O ATOM 1112 CB ASN C 74 9.777 7.740 4.828 1.00 0.00 C ATOM 1113 CG ASN C 74 10.608 8.161 6.028 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.376 9.214 6.619 1.00 0.00 O ATOM 1115 ND2 ASN C 74 11.596 7.354 6.384 1.00 0.00 N ATOM 0 H ASN C 74 9.740 5.319 5.494 1.00 0.00 H new ATOM 0 HA ASN C 74 8.050 7.539 6.053 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.379 7.104 4.179 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.508 8.624 4.249 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.195 7.598 7.173 1.00 0.00 H new ATOM 0 HD22 ASN C 74 11.758 6.488 5.869 1.00 0.00 H new ATOM 1122 N ILE C 75 7.585 5.838 3.313 1.00 0.00 N ATOM 1123 CA ILE C 75 6.641 5.607 2.231 1.00 0.00 C ATOM 1124 C ILE C 75 5.228 5.400 2.775 1.00 0.00 C ATOM 1125 O ILE C 75 4.342 6.231 2.568 1.00 0.00 O ATOM 1126 CB ILE C 75 7.023 4.368 1.390 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.333 4.590 0.626 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.901 4.023 0.423 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.776 3.374 -0.163 1.00 0.00 C ATOM 0 H ILE C 75 8.273 5.095 3.439 1.00 0.00 H new ATOM 0 HA ILE C 75 6.673 6.494 1.598 1.00 0.00 H new ATOM 0 HB ILE C 75 7.174 3.533 2.074 1.00 0.00 H new ATOM 0 HG12 ILE C 75 8.211 5.432 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE C 75 9.117 4.862 1.333 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.182 3.148 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.991 3.807 0.983 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.724 4.866 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.709 3.596 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.929 2.535 0.516 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.009 3.115 -0.893 1.00 0.00 H new ATOM 1141 N SER C 76 5.038 4.294 3.490 1.00 0.00 N ATOM 1142 CA SER C 76 3.708 3.858 3.900 1.00 0.00 C ATOM 1143 C SER C 76 3.007 4.886 4.758 1.00 0.00 C ATOM 1144 O SER C 76 1.858 5.231 4.519 1.00 0.00 O ATOM 1145 CB SER C 76 3.781 2.538 4.662 1.00 0.00 C ATOM 1146 OG SER C 76 4.577 1.590 3.972 1.00 0.00 O ATOM 0 H SER C 76 5.793 3.681 3.798 1.00 0.00 H new ATOM 0 HA SER C 76 3.131 3.725 2.985 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.196 2.711 5.655 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.776 2.140 4.802 1.00 0.00 H new ATOM 0 HG SER C 76 5.478 1.952 3.842 1.00 0.00 H new ATOM 1152 N ASN C 77 3.704 5.384 5.748 1.00 0.00 N ATOM 1153 CA ASN C 77 3.074 6.262 6.721 1.00 0.00 C ATOM 1154 C ASN C 77 2.843 7.676 6.187 1.00 0.00 C ATOM 1155 O ASN C 77 2.067 8.431 6.771 1.00 0.00 O ATOM 1156 CB ASN C 77 3.824 6.253 8.049 1.00 0.00 C ATOM 1157 CG ASN C 77 3.613 4.946 8.792 1.00 0.00 C ATOM 1158 OD1 ASN C 77 2.408 4.397 8.678 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 4.511 4.451 9.473 1.00 0.00 N flip ATOM 0 H ASN C 77 4.695 5.204 5.907 1.00 0.00 H new ATOM 0 HA ASN C 77 2.080 5.857 6.911 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.888 6.404 7.869 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.484 7.084 8.667 1.00 0.00 H new ATOM 0 HD21 ASN C 77 5.420 4.910 9.530 1.00 0.00 H new ATOM 0 HD22 ASN C 77 4.346 3.582 9.981 1.00 0.00 H new ATOM 1166 N ASP C 78 3.492 8.047 5.085 1.00 0.00 N ATOM 1167 CA ASP C 78 3.098 9.272 4.382 1.00 0.00 C ATOM 1168 C ASP C 78 1.735 9.066 3.766 1.00 0.00 C ATOM 1169 O ASP C 78 0.892 9.959 3.781 1.00 0.00 O ATOM 1170 CB ASP C 78 4.074 9.664 3.282 1.00 0.00 C ATOM 1171 CG ASP C 78 5.220 10.520 3.787 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.423 10.593 5.018 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.922 11.131 2.950 1.00 0.00 O1- ATOM 0 H ASP C 78 4.270 7.537 4.667 1.00 0.00 H new ATOM 0 HA ASP C 78 3.090 10.077 5.116 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.477 8.762 2.822 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.537 10.207 2.504 1.00 0.00 H new ATOM 1178 N ILE C 79 1.535 7.866 3.229 1.00 0.00 N ATOM 1179 CA ILE C 79 0.239 7.450 2.714 1.00 0.00 C ATOM 1180 C ILE C 79 -0.797 7.527 3.827 1.00 0.00 C ATOM 1181 O ILE C 79 -1.985 7.743 3.591 1.00 0.00 O ATOM 1182 CB ILE C 79 0.292 6.003 2.173 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.383 5.868 1.113 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.057 5.589 1.606 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.610 4.441 0.663 1.00 0.00 C ATOM 0 H ILE C 79 2.265 7.159 3.140 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.033 8.117 1.896 1.00 0.00 H new ATOM 0 HB ILE C 79 0.531 5.337 3.002 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.116 6.476 0.248 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.316 6.269 1.509 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.996 4.567 1.231 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.813 5.644 2.389 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.330 6.259 0.791 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.398 4.418 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.907 3.833 1.517 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.689 4.043 0.237 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.324 7.370 5.049 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.194 7.412 6.203 1.00 0.00 C ATOM 1199 C ASN C 80 -1.564 8.834 6.558 1.00 0.00 C ATOM 1200 O ASN C 80 -2.680 9.084 6.996 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.547 6.744 7.416 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.370 5.251 7.265 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.348 4.709 6.166 1.00 0.00 O ATOM 1204 ND2 ASN C 80 -0.195 4.575 8.382 1.00 0.00 N ATOM 0 H ASN C 80 0.660 7.212 5.266 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.097 6.863 5.936 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.427 7.200 7.594 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.158 6.941 8.297 1.00 0.00 H new ATOM 0 HD21 ASN C 80 -0.035 3.568 8.349 1.00 0.00 H new ATOM 0 HD22 ASN C 80 -0.219 5.058 9.280 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.629 9.758 6.379 1.00 0.00 N ATOM 1212 CA LYS C 81 -0.918 11.173 6.581 1.00 0.00 C ATOM 1213 C LYS C 81 -2.150 11.541 5.769 1.00 0.00 C ATOM 1214 O LYS C 81 -3.065 12.202 6.251 1.00 0.00 O ATOM 1215 CB LYS C 81 0.267 12.037 6.139 1.00 0.00 C ATOM 1216 CG LYS C 81 1.600 11.687 6.797 1.00 0.00 C ATOM 1217 CD LYS C 81 1.774 12.340 8.163 1.00 0.00 C ATOM 1218 CE LYS C 81 1.002 11.620 9.256 1.00 0.00 C ATOM 1219 NZ LYS C 81 1.281 12.198 10.596 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.330 9.556 6.096 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.096 11.354 7.641 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.378 11.950 5.058 1.00 0.00 H new ATOM 0 HB3 LYS C 81 0.036 13.081 6.352 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.674 10.605 6.905 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.415 11.999 6.144 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.833 12.357 8.422 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.442 13.377 8.111 1.00 0.00 H new ATOM 0 HE2 LYS C 81 -0.066 11.681 9.048 1.00 0.00 H new ATOM 0 HE3 LYS C 81 1.267 10.563 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 0.737 11.682 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 2.297 12.117 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 1.005 13.201 10.606 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.176 11.034 4.548 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.269 11.270 3.618 1.00 0.00 C ATOM 1235 C LEU C 82 -4.604 10.841 4.227 1.00 0.00 C ATOM 1236 O LEU C 82 -5.630 11.474 3.981 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.030 10.471 2.333 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.560 10.289 1.922 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.477 9.503 0.621 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.868 11.637 1.764 1.00 0.00 C ATOM 0 H LEU C 82 -1.435 10.443 4.171 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.307 12.337 3.398 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.479 9.485 2.452 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.557 10.965 1.517 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.050 9.734 2.709 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.432 9.379 0.337 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.935 8.523 0.758 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.005 10.043 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.171 11.481 1.473 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.377 12.219 0.996 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.902 12.177 2.710 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.552 9.793 5.057 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.749 9.123 5.587 1.00 0.00 C ATOM 1254 C ASN C 83 -6.840 9.036 4.531 1.00 0.00 C ATOM 1255 O ASN C 83 -7.776 9.840 4.502 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.254 9.791 6.865 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.018 8.914 8.089 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -4.914 8.163 8.096 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -6.814 8.918 9.026 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.676 9.383 5.382 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.464 8.105 5.853 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.749 10.748 7.000 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.319 10.003 6.769 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.647 9.505 8.985 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -6.641 8.334 9.844 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.695 8.047 3.665 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.534 7.916 2.487 1.00 0.00 C ATOM 1268 C ILE C 84 -8.963 7.573 2.838 1.00 0.00 C ATOM 1269 O ILE C 84 -9.238 6.563 3.478 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.004 6.831 1.545 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.501 6.981 1.389 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.691 6.915 0.187 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -4.901 5.986 0.421 1.00 0.00 C ATOM 0 H ILE C 84 -5.993 7.313 3.759 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.509 8.888 1.994 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.223 5.853 1.974 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.277 7.991 1.047 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.027 6.861 2.363 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.300 6.136 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.765 6.778 0.313 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.500 7.892 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.825 6.146 0.355 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.096 4.973 0.773 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.349 6.121 -0.563 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.864 8.402 2.363 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.289 8.171 2.526 1.00 0.00 C ATOM 1287 C LYS C 85 -11.803 7.395 1.320 1.00 0.00 C ATOM 1288 O LYS C 85 -12.928 7.582 0.861 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.023 9.506 2.684 1.00 0.00 C ATOM 1290 CG LYS C 85 -11.759 10.483 1.536 1.00 0.00 C ATOM 1291 CD LYS C 85 -11.324 11.860 2.034 1.00 0.00 C ATOM 1292 CE LYS C 85 -9.915 11.849 2.633 1.00 0.00 C ATOM 1293 NZ LYS C 85 -9.909 11.503 4.082 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.635 9.255 1.853 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.474 7.585 3.426 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.094 9.317 2.752 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.721 9.970 3.623 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.987 10.074 0.885 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -12.662 10.585 0.934 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -11.358 12.569 1.207 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -12.032 12.211 2.785 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -9.299 11.132 2.090 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -9.459 12.829 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.481 12.281 4.623 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -10.885 11.351 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -9.356 10.634 4.229 1.00 0.00 H new ATOM 1307 N GLY C 86 -10.945 6.517 0.824 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.227 5.777 -0.381 1.00 0.00 C ATOM 1309 C GLY C 86 -12.142 4.598 -0.127 1.00 0.00 C ATOM 1310 O GLY C 86 -12.041 3.956 0.916 1.00 0.00 O ATOM 0 H GLY C 86 -10.042 6.303 1.247 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.687 6.440 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.292 5.422 -0.815 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.048 4.288 -1.063 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.933 3.127 -0.944 1.00 0.00 C ATOM 1316 C PRO C 87 -13.217 1.841 -1.346 1.00 0.00 C ATOM 1317 O PRO C 87 -13.324 0.820 -0.674 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.044 3.457 -1.935 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.340 4.210 -3.004 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.322 5.060 -2.290 1.00 0.00 C ATOM 0 HA PRO C 87 -14.286 2.957 0.073 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.517 2.555 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.830 4.055 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.860 3.533 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -15.036 4.826 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.422 5.200 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.712 6.052 -2.064 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.470 1.900 -2.440 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.659 0.779 -2.861 1.00 0.00 C ATOM 1330 C TYR C 88 -10.316 1.284 -3.359 1.00 0.00 C ATOM 1331 O TYR C 88 -10.246 2.203 -4.185 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.369 -0.088 -3.913 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.825 0.645 -5.157 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.036 0.670 -6.300 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.049 1.298 -5.192 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -12.454 1.328 -7.440 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -14.473 1.960 -6.329 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.671 1.971 -7.449 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.088 2.628 -8.584 1.00 0.00 O ATOM 0 H TYR C 88 -12.413 2.716 -3.049 1.00 0.00 H new ATOM 0 HA TYR C 88 -11.494 0.131 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.696 -0.892 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.237 -0.555 -3.448 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.080 0.167 -6.297 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -14.681 1.289 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -11.829 1.338 -8.321 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -15.427 2.466 -6.339 1.00 0.00 H new ATOM 0 HH TYR C 88 -15.047 2.820 -8.517 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.257 0.697 -2.828 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.914 1.193 -3.058 1.00 0.00 C ATOM 1351 C ILE C 89 -7.032 0.140 -3.697 1.00 0.00 C ATOM 1352 O ILE C 89 -6.902 -0.977 -3.192 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.277 1.665 -1.738 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.059 2.857 -1.197 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.809 2.023 -1.934 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.512 3.404 0.103 1.00 0.00 C ATOM 0 H ILE C 89 -9.304 -0.129 -2.231 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.994 2.036 -3.744 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.319 0.851 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.057 3.651 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.098 2.562 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.385 2.353 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.265 1.148 -2.289 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.725 2.825 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.119 4.250 0.426 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.539 2.625 0.865 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -6.483 3.732 -0.044 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.430 0.512 -4.810 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.514 -0.354 -5.509 1.00 0.00 C ATOM 1370 C GLU C 90 -4.086 0.004 -5.168 1.00 0.00 C ATOM 1371 O GLU C 90 -3.522 0.954 -5.712 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.735 -0.236 -7.005 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.106 -0.725 -7.428 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.257 -2.226 -7.248 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -6.861 -2.980 -8.161 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.764 -2.661 -6.192 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.565 1.422 -5.251 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.698 -1.383 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.615 0.805 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.970 -0.810 -7.529 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -7.870 -0.211 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.276 -0.467 -8.473 1.00 0.00 H new ATOM 1383 N ILE C 91 -3.514 -0.747 -4.254 1.00 0.00 N ATOM 1384 CA ILE C 91 -2.128 -0.571 -3.899 1.00 0.00 C ATOM 1385 C ILE C 91 -1.303 -1.629 -4.651 1.00 0.00 C ATOM 1386 O ILE C 91 -1.349 -2.825 -4.354 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.949 -0.622 -2.347 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -0.621 -0.003 -1.916 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -2.060 -2.036 -1.805 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -0.473 0.147 -0.419 1.00 0.00 C ATOM 0 H ILE C 91 -3.992 -1.489 -3.742 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.766 0.412 -4.200 1.00 0.00 H new ATOM 0 HB ILE C 91 -2.763 -0.033 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE C 91 0.195 -0.620 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -0.520 0.977 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -1.929 -2.022 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -3.042 -2.442 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.288 -2.660 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE C 91 0.495 0.593 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.267 0.789 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.540 -0.833 0.053 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.610 -1.190 -5.694 1.00 0.00 N ATOM 1403 CA LYS C 92 0.112 -2.106 -6.570 1.00 0.00 C ATOM 1404 C LYS C 92 1.117 -1.349 -7.420 1.00 0.00 C ATOM 1405 O LYS C 92 1.086 -0.127 -7.491 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.882 -2.854 -7.467 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.753 -1.945 -8.326 1.00 0.00 C ATOM 1408 CD LYS C 92 -1.126 -1.659 -9.684 1.00 0.00 C ATOM 1409 CE LYS C 92 -2.177 -1.290 -10.714 1.00 0.00 C ATOM 1410 NZ LYS C 92 -3.077 -2.436 -11.016 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.532 -0.207 -5.954 1.00 0.00 H new ATOM 0 HA LYS C 92 0.654 -2.826 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -0.329 -3.530 -8.119 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.527 -3.471 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -2.729 -2.410 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.922 -1.005 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -0.406 -0.846 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -0.574 -2.536 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -2.767 -0.450 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -1.688 -0.960 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -3.467 -2.328 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -2.539 -3.324 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.855 -2.458 -10.326 1.00 0.00 H new ATOM 1424 N GLN C 93 2.000 -2.070 -8.076 1.00 0.00 N ATOM 1425 CA GLN C 93 3.003 -1.425 -8.897 1.00 0.00 C ATOM 1426 C GLN C 93 2.609 -1.438 -10.360 1.00 0.00 C ATOM 1427 O GLN C 93 1.761 -2.220 -10.788 1.00 0.00 O ATOM 1428 CB GLN C 93 4.377 -2.043 -8.700 1.00 0.00 C ATOM 1429 CG GLN C 93 4.369 -3.338 -7.910 1.00 0.00 C ATOM 1430 CD GLN C 93 5.758 -3.900 -7.701 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.935 -5.111 -7.573 1.00 0.00 O ATOM 1432 NE2 GLN C 93 6.757 -3.029 -7.673 1.00 0.00 N ATOM 0 H GLN C 93 2.045 -3.089 -8.059 1.00 0.00 H new ATOM 0 HA GLN C 93 3.062 -0.386 -8.573 1.00 0.00 H new ATOM 0 HB2 GLN C 93 4.823 -2.229 -9.677 1.00 0.00 H new ATOM 0 HB3 GLN C 93 5.017 -1.323 -8.190 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.901 -3.165 -6.941 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.758 -4.074 -8.432 1.00 0.00 H new ATOM 0 HE21 GLN C 93 6.568 -2.033 -7.783 1.00 0.00 H new ATOM 0 HE22 GLN C 93 7.714 -3.355 -7.542 1.00 0.00 H new ATOM 1441 N ILE C 94 3.247 -0.573 -11.118 1.00 0.00 N ATOM 1442 CA ILE C 94 2.812 -0.256 -12.461 1.00 0.00 C ATOM 1443 C ILE C 94 3.950 -0.372 -13.459 1.00 0.00 C ATOM 1444 O ILE C 94 3.852 0.223 -14.550 1.00 0.00 O ATOM 1445 CB ILE C 94 2.231 1.168 -12.483 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.005 2.044 -11.490 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.752 1.138 -12.145 1.00 0.00 C ATOM 1448 CD1 ILE C 94 2.391 3.396 -11.230 1.00 0.00 C ATOM 1449 OXT ILE C 94 4.943 -1.063 -13.148 1.00 0.00 O ATOM 0 H ILE C 94 4.083 -0.069 -10.820 1.00 0.00 H new ATOM 0 HA ILE C 94 2.046 -0.974 -12.753 1.00 0.00 H new ATOM 0 HB ILE C 94 2.335 1.591 -13.482 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.088 1.510 -10.543 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.018 2.187 -11.866 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.354 2.152 -12.164 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.224 0.527 -12.877 1.00 0.00 H new ATOM 0 HG23 ILE C 94 0.615 0.713 -11.151 1.00 0.00 H new ATOM 0 HD11 ILE C 94 3.006 3.944 -10.516 1.00 0.00 H new ATOM 0 HD12 ILE C 94 2.333 3.955 -12.164 1.00 0.00 H new ATOM 0 HD13 ILE C 94 1.389 3.268 -10.821 1.00 0.00 H new